methyl 4-(5-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
methyl 4-(5-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 3685-1448 |
| Compound Name: | methyl 4-(5-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 495.28 |
| Molecular Formula: | C23 H15 Br N2 O6 |
| Smiles: | COC(c1ccc(cc1)c1ccc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.463 |
| logD: | 3.4555 |
| logSw: | -4.4414 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.134 |
| InChI Key: | LMYNHFMSMIRVAC-UHFFFAOYSA-N |